COMPND    HMDB0004068
HETATM    1  C1  UNL     1       4.993   0.049  -0.072  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.578  -0.306  -0.258  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.154  -1.465  -0.950  1.00  0.00           C  
HETATM    4  O1  UNL     1       4.082  -2.182  -1.401  1.00  0.00           O  
HETATM    5  C4  UNL     1       1.823  -1.781  -1.114  1.00  0.00           C  
HETATM    6  O2  UNL     1       1.450  -2.791  -1.717  1.00  0.00           O  
HETATM    7  C5  UNL     1       0.901  -0.919  -0.575  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.459  -1.120  -0.670  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.282  -2.065  -1.224  1.00  0.00           C  
HETATM   10  N1  UNL     1      -2.584  -1.702  -0.979  1.00  0.00           N  
HETATM   11  C8  UNL     1      -2.618  -0.551  -0.283  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.582   0.305   0.252  1.00  0.00           C  
HETATM   13  C10 UNL     1      -5.004  -0.040   0.073  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.156   1.443   0.932  1.00  0.00           C  
HETATM   15  O3  UNL     1      -4.056   2.185   1.397  1.00  0.00           O  
HETATM   16  C12 UNL     1      -1.809   1.774   1.104  1.00  0.00           C  
HETATM   17  O4  UNL     1      -1.425   2.781   1.705  1.00  0.00           O  
HETATM   18  C13 UNL     1      -0.877   0.915   0.567  1.00  0.00           C  
HETATM   19  C14 UNL     1       0.483   1.122   0.666  1.00  0.00           C  
HETATM   20  C15 UNL     1       1.287   2.072   1.223  1.00  0.00           C  
HETATM   21  N2  UNL     1       2.589   1.715   0.982  1.00  0.00           N  
HETATM   22  C16 UNL     1       2.630   0.560   0.284  1.00  0.00           C  
HETATM   23  C17 UNL     1       1.322   0.199   0.092  1.00  0.00           C  
HETATM   24  C18 UNL     1      -1.312  -0.201  -0.098  1.00  0.00           C  
HETATM   25  H1  UNL     1       5.149   1.144  -0.220  1.00  0.00           H  
HETATM   26  H2  UNL     1       5.610  -0.464  -0.848  1.00  0.00           H  
HETATM   27  H3  UNL     1       5.322  -0.259   0.958  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.901  -2.923  -1.750  1.00  0.00           H  
HETATM   29  H5  UNL     1      -3.414  -2.233  -1.283  1.00  0.00           H  
HETATM   30  H6  UNL     1      -5.441   0.368  -0.860  1.00  0.00           H  
HETATM   31  H7  UNL     1      -5.644   0.376   0.906  1.00  0.00           H  
HETATM   32  H8  UNL     1      -5.158  -1.156   0.142  1.00  0.00           H  
HETATM   33  H9  UNL     1       0.928   2.921   1.743  1.00  0.00           H  
HETATM   34  H10 UNL     1       3.424   2.231   1.277  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3   22   22
CONECT    3    4    4    5
CONECT    5    6    6    7
CONECT    7    8   23   23
CONECT    8    9    9   24
CONECT    9   10   28
CONECT   10   11   29
CONECT   11   12   12   24
CONECT   12   13   14
CONECT   13   30   31   32
CONECT   14   15   15   16
CONECT   16   17   17   18
CONECT   18   19   24   24
CONECT   19   20   20   23
CONECT   20   21   33
CONECT   21   22   34
CONECT   22   23
END